3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide

C14H21N3O — CID 62059516

IUPAC3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C)C2CC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-3-4-11(9-13(10)15)14(18)16-7-8-17(2)12-5-6-12/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyQTLWDBKGVLZENU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.40
Rot. Bonds5

About 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide

3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide (PubChem CID 62059516) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
PubChem CID62059516
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCN(C)C2CC2)cc1N
InChIInChI=1S/C14H21N3O/c1-10-3-4-11(9-13(10)15)14(18)16-7-8-17(2)12-5-6-12/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18)
InChIKeyQTLWDBKGVLZENU-UHFFFAOYSA-N
XLogP1.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[cyclopropyl(methyl)amino]ethyl]-3-hydroxy-4-methoxybenzamide
CID 79673447
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-5-fluoro-4-methylbenzamide
CID 63314478
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
CID 83107775
N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614971
N-[2-[cyclopentyl(methyl)amino]ethyl]-3,4-dihydroxybenzamide
CID 103956034
N-[2-[cyclopropyl(methyl)amino]ethyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 47799154
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluoro-2-methylbenzamide
CID 112702550
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbenzamide
CID 62060153
1-(3-amino-4-methylphenyl)-3-[cyclohexyl(methyl)amino]propan-1-one
CID 82136057
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429053
3-amino-N-(cyclohexylmethyl)-4-methylbenzamide
CID 43371353
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-methylbenzamide
CID 121420012

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide (CID 62059516) is 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCN(C)C2CC2)cc1N.
What is the InChIKey of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is QTLWDBKGVLZENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-3-4-11(9-13(10)15)14(18)16-7-8-17(2)12-5-6-12/h3-4,9,12H,5-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide?
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 62059516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).